ChemDB: Chemical Search
Download
Chemical ID: 4123746
Chemical ID:
4123746
Name [?]:
2-(2,2-dimethyl-3-oxo-piperazin-1-yl)propanoic acid
SMILES [?]:
CC(C(=O)O)N1CCNC(=O)C1(C)C
InChi [?]:
InChI=1/C9H16N2O3/c1-6(7(12)13)11-5-4-10-8(14)9(11,2)3/h6H,4-5H2,1-3H3,(H,10,14)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,13,14,8,7,2,3,10,12,9,6,4,5,11/E:(2,3)(12,13)/rA:14cCCCOONCCNCOCCC/rB:s1;s2;d3;s3;s2;s6;s7;s8;s9;d10;s6s10;s12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H16N2O3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 5.5793 |
Area: | 348.859 |
Solvation: | -3.14218 |
Coulombic: | -52.8201 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 2 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 200.235 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | -0.43 |
LogP (Chemaxon): | -2.95 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|